2-(dimethylamino)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(dimethylamino)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(dimethylamino)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0822 |
| Compound Name: | 2-(dimethylamino)-5-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 448.42 |
| Molecular Formula: | C16 H18 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1ccc(c(c1)C(O)=O)N(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3958 |
| logD: | 1.2802 |
| logSw: | -3.8662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.8 |
| InChI Key: | TWCGOSFUGVVJQS-UHFFFAOYSA-N |